3-[[[2-(2,4-dimethylphenyl)-2-methylpropyl]amino]methyl]cyclobutan-1-amine

C17H28N2 — CID 115214414

IUPAC3-[[[2-(2,4-dimethylphenyl)-2-methylpropyl]amino]methyl]cyclobutan-1-amine
SMILESCc1ccc(C(C)(C)CNCC2CC(N)C2)c(C)c1
InChIInChI=1S/C17H28N2/c1-12-5-6-16(13(2)7-12)17(3,4)11-19-10-14-8-15(18)9-14/h5-7,14-15,19H,8-11,18H2,1-4H3
InChIKeyINABWIBLVJGGOV-UHFFFAOYSA-N
MW260.43 g/mol
LogP2.91
Rot. Bonds5

About 3-[[[2-(2,4-dimethylphenyl)-2-methylpropyl]amino]methyl]cyclobutan-1-amine

3-[[[2-(2,4-dimethylphenyl)-2-methylpropyl]amino]methyl]cyclobutan-1-amine (PubChem CID 115214414) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 3-[[[2-(2,4-dimethylphenyl)-2-methylpropyl]amino]methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[[[2-(2,4-dimethylphenyl)-2-methylpropyl]amino]methyl]cyclobutan-1-amine
PubChem CID115214414
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name3-[[[2-(2,4-dimethylphenyl)-2-methylpropyl]amino]methyl]cyclobutan-1-amine
SMILESCc1ccc(C(C)(C)CNCC2CC(N)C2)c(C)c1
InChIInChI=1S/C17H28N2/c1-12-5-6-16(13(2)7-12)17(3,4)11-19-10-14-8-15(18)9-14/h5-7,14-15,19H,8-11,18H2,1-4H3
InChIKeyINABWIBLVJGGOV-UHFFFAOYSA-N
XLogP2.91
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[[2-methyl-2-(3-methylphenyl)propyl]amino]methyl]cyclobutan-1-amine
CID 115214425
3-[[[2-(3,4-dimethylphenyl)-2-methylpropyl]amino]methyl]cyclobutan-1-amine
CID 115214407
2-(2,4-dimethylphenyl)-N-(methoxymethyl)-2-methylpropan-1-amine
CID 115259147
1-N-[2-(2,4-dimethylphenyl)-2-methylpropyl]cyclopentane-1,2-diamine
CID 115117726
(E)-4-[[2-(2,4-dimethylphenyl)-2-methylpropyl]amino]but-2-enoic acid
CID 115237403
[2-(2,4-dimethylphenyl)-2-methylpropyl]carbamic acid
CID 115171380
N-[2-(2,4-dimethylphenyl)-2-methylpropyl]acetamide
CID 115191406
3-[[2-(2,4-dimethylphenyl)-2-methylpropyl]amino]propanenitrile
CID 115231327
N-[2-(2,4-dimethylphenyl)-2-methylpropyl]piperidin-4-amine
CID 115118559
2-amino-N-[2-(2,4-dimethylphenyl)-2-methylpropyl]-3-hydroxypropanamide
CID 115180202
2-N-[2-(2,4-dimethylphenyl)-2-methylpropyl]-3-methylbutane-1,2-diamine
CID 115138395
2-[[2-(2,5-dimethylphenyl)-2-methylpropyl]amino]acetamide
CID 115260324

Frequently Asked Questions

What is the IUPAC name of 3-[[[2-(2,4-dimethylphenyl)-2-methylpropyl]amino]methyl]cyclobutan-1-amine?
The IUPAC name of 3-[[[2-(2,4-dimethylphenyl)-2-methylpropyl]amino]methyl]cyclobutan-1-amine (CID 115214414) is 3-[[[2-(2,4-dimethylphenyl)-2-methylpropyl]amino]methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-[[[2-(2,4-dimethylphenyl)-2-methylpropyl]amino]methyl]cyclobutan-1-amine?
The canonical SMILES for 3-[[[2-(2,4-dimethylphenyl)-2-methylpropyl]amino]methyl]cyclobutan-1-amine is Cc1ccc(C(C)(C)CNCC2CC(N)C2)c(C)c1.
What is the InChIKey of 3-[[[2-(2,4-dimethylphenyl)-2-methylpropyl]amino]methyl]cyclobutan-1-amine?
The InChIKey is INABWIBLVJGGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-12-5-6-16(13(2)7-12)17(3,4)11-19-10-14-8-15(18)9-14/h5-7,14-15,19H,8-11,18H2,1-4H3.
What are the key properties of 3-[[[2-(2,4-dimethylphenyl)-2-methylpropyl]amino]methyl]cyclobutan-1-amine?
3-[[[2-(2,4-dimethylphenyl)-2-methylpropyl]amino]methyl]cyclobutan-1-amine has a molecular weight of 260.43 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-(2,4-dimethylphenyl)-2-methylpropyl]amino]methyl]cyclobutan-1-amine is sourced from PubChem (CID 115214414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).